SCHEMBL342536

SCHEMBL342536

Nc1cc(S(=O)(=O)O)ccc1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.58

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 4/20 0.44
CA12 known ✓ O43570 2/20 0.41
CA1 known ✓ P00915 2/20 0.41
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 4/20 0.58
CASP6 P55212 3/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NT5E P21589 3/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
GAA P10253 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NSD2 O96028 2/20 0.42
PLCG1 P19174 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29473550 1.00 ALDH1A1 (0.58) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
Water SCHEMBL29627107 0.98 ALDH1A1 (0.56) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL713915 0.86 LMNA (0.47) ALDH1A1HSD17B10CYP2C9CYP2C19TDP1
SCHEMBL342537 0.86 ALDH1A1 (0.64) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL29702840 0.86 ALDH1A1 (0.64) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL30461613 0.86 LMNA (0.47) ALDH1A1HSD17B10CYP2C9CYP2C19TDP1
SCHEMBL149375 0.86 ALDH1A1 (0.64) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL1808981 0.85 ALDH1A1 (0.48) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL29702707 0.85 ALDH1A1 (0.53) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL142002 0.85 ALDH1A1 (0.53) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 177 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986929-A Room-temperature phosphorescent ink based on bio-based molecules-aromatic sulfonic acid or salts thereof, and preparation method and application thereof 仲恺农业工程学院 2024-05-07 CN claimed
CN-115926860-A Coal water slurry additive prepared by using industrial byproduct and preparation method thereof 河北建新化工股份有限公司 2023-04-07 CN claimed
CN-113593931-B Preparation method of supercapacitor electrode material NiCoMn-LDH/functionalized graphene 燕山大学 2022-04-01 CN claimed
CN-113593931-A Preparation method of supercapacitor electrode material NiCoMn-LDH/functionalized graphene 燕山大学 2021-11-02 CN claimed
CN-109651839-B Preparation method of orange reactive printing dye 浙江劲光实业股份有限公司 2020-09-01 CN claimed
US-10468701-B2 Multi-acid polymers from multifunctional amino acids and sulfonyl halide precursors and methods of making the same NISSAN NORTH AMERICA, INC. (US) 2019-11-05 US claimed
US-20170279145-A1 MULTI-ACID POLYMERS FROM MULTIFUNCTIONAL AMINO ACIDS AND SULFONYL HALIDE PRECURSORS AND METHODS OF MAKING THE SAME NISSAN MOTOR CO., LTD. (JP) 2017-09-28 US claimed
CN-1169710-C Process for preparing hydrogen sulfide 唐培� 2004-10-06 CN claimed
CN-1203886-A Method for producing hydrogen sulfide TANG PEISI (CN) 1999-01-06 CN claimed
CN-112724349-B Polymer and use thereof 立邦涂料(中国)有限公司 2024-07-05 CN disclosed
US-20240167922-A1 TRANSPARENTIZING REAGENT AND TRANSPARENTIZING METHOD KYOTO UNIVERSITY (JP) 2024-05-23 US disclosed
CN-117986929-A Room-temperature phosphorescent ink based on bio-based molecules-aromatic sulfonic acid or salts thereof, and preparation method and application thereof 仲恺农业工程学院 2024-05-07 CN disclosed
CN-114479106-B Metal organic frame material with ammonia response and antibacterial functions and preparation method thereof 桂林理工大学 2024-02-20 CN disclosed
EP-4306927-A1 TRANSPARENTIZING REAGENT AND TRANSPARENTIZING METHOD Kyoto University (JP) 2024-01-17 EP disclosed
US-20060102047-A1 Ink jet ink, ink jet recording method, ink cartridge, recording unit, and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2006-05-18 US disclosed
US-20060102046-A1 Ink jet ink, ink set, ink jet recording method, ink cartridge, recording unit, and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2006-05-18 US disclosed
CN-1169710-C Process for preparing hydrogen sulfide 唐培� 2004-10-06 CN disclosed
CN-1342600-A Process for preparing hydrogen sulfide TANG PEIKUN (CN) 2002-04-03 CN disclosed
CN-1064023-C Method for producing hydrogen sulfide TANG PEISI (CN) 2001-04-04 CN disclosed
CN-1203886-A Method for producing hydrogen sulfide TANG PEISI (CN) 1999-01-06 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240167922-A1 TRANSPARENTIZING REAGENT AND TRANSPARENTIZING METHOD TST, TTR, ALB CA2 2629/4885CA12 79/4885CA1 377/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.